DFT and docking studies of designed conjugates of noscapines & repurposing drugs: promising inhibitors of main protease of SARS-CoV-2 and falcipan-2.

Coronavirus 3C Proteases / antagonists & inhibitors Drug Repositioning Humans Molecular Docking Simulation Noscapine / pharmacology Protease Inhibitors / pharmacology SARS-CoV-2 / drug effects COVID-19 Drug Treatment
DFT Noscapine docking hybrids repurposing drugs

Journal

Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176

Informations de publication

Date de publication:
04 2022
Historique:
pubmed: 4 11 2020
medline: 31 3 2022
entrez: 3 11 2020
Statut: ppublish

Résumé

First case of the present epidemic, coronavirus disease (COVID-19) is reported in the Wuhan, a city of the China and all the countries throughout the world are being affected. COVID-19 is named by World Health Organization and it stands for coronavirus disease-19. As on 27

Identifiants

DOI: 10.1080/07391102.2020.1841030 PMID: 33140690
pubmed: 33140690
doi: 10.1080/07391102.2020.1841030
doi:

Substances chimiques

Protease Inhibitors 0
Noscapine 8V32U4AOQU
3C-like proteinase, SARS-CoV-2 EC 3.4.22.-
Coronavirus 3C Proteases EC 3.4.22.28

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

2600-2620

Auteurs

Ajay Kumar (A)

Department of Chemistry, Indian Institute of Technology, Delhi, India.
Department of Applied Chemistry, Babasaheb Bhimrao Ambedkar University, Lucknow, India.

Durgesh Kumar (D)

Department of Chemistry, Atma Ram Sanatan Dharma College, University of Delhi, Delhi, India.

Ravinder Kumar (R)

Department of Chemistry, Gurukula Kangri Vishwavidyalaya, Haridwar, India.

Prashant Singh (P)

Department of Chemistry, Atma Ram Sanatan Dharma College, University of Delhi, Delhi, India.

Ramesh Chandra (R)

Drug Discovery and Development Laboratory, Department of Chemistry, University of Delhi, Delhi, India.

Kamlesh Kumari (K)

Department of Zoology, Deen Dayal Upadhyaya College, University of Delhi, Delhi, India.

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Classifications MeSH

questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines virales › Protéines virales non structurales › Protéases virales › Protéases virales 3C › Protéases 3C des coronavirus › DFT and docking studies of designed conjugates...
questionsmedicales.fr › Techniques d'investigation › Développement de médicament › Repositionnement des médicaments › DFT and docking studies of designed conjugates...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › DFT and docking studies of designed conjugates...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › DFT and docking studies of designed conjugates...
questionsmedicales.fr › Composés hétérocycliques › Composés hétérocycliques à cycles fusionnés › Composés hétérobicycliques › Isoquinoléines › Noscapine › DFT and docking studies of designed conjugates...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Inhibiteurs de protéases › DFT and docking studies of designed conjugates...
questionsmedicales.fr › Virus › Virus à ARN › Virus à ARN à brin positif › Nidovirales › Coronaviridae › Coronavirus › Betacoronavirus › Virus du SRAS › SARS-CoV-2 › DFT and docking studies of designed conjugates...
questionsmedicales.fr › Thérapeutique › Traitement médicamenteux › Traitements médicamenteux de la COVID-19 › DFT and docking studies of designed conjugates...